Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL455351 | 0.87 | KDM4E (0.53) | KDM4EGPR3RAD52SMARCA2HTR6 | |
| Acetic Acid SCHEMBL18155003 | 0.87 | KDM4E (0.43) | KDM4EGPR3RAD52SMARCA2HTR6 | |
| SCHEMBL27673186 | 0.86 | KDM4E (0.52) | KDM4EGPR3RAD52SMARCA2HTR6 | |
| Iodide SCHEMBL4717590 | 0.86 | KDM4E (0.52) | KDM4EGPR3RAD52SMARCA2HTR6 | |
| Hydrochloric Acid SCHEMBL3881151 | 0.86 | KDM4E (0.52) | KDM4EGPR3RAD52SMARCA2HTR6 | |
| Formic Acid SCHEMBL3882912 | 0.85 | KDM4E (0.44) | KDM4EGPR3ERN1HTR6GABRA1 | |
| Hydrochloric Acid SCHEMBL27669383 | 0.84 | KDM4E (0.50) | KDM4EGPR3RAD52SMARCA2HTR6 | |
| Hydrochloric Acid SCHEMBL28761791 | 0.84 | KDM4E (0.50) | KDM4EGPR3RAD52SMARCA2HTR6 | |
| Toluene SCHEMBL19252764 | 0.82 | KDM4E (0.44) | KDM4EGPR3CYP1A2RAD52SMARCA2 | |
| Chlorobenzene SCHEMBL19252790 | 0.82 | HDAC6 (0.46) | KDM4EGPR3RAD52SMARCA2HTR6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2600868-A1 | COMBINATION OF A PYRROLOQUINOLINE COMPOUND AND AN AMINOGLYCODISE ANTIMICROBIAL AGENT | Helperby Therapeutics Limited (GB) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012017216-A1 | COMBINATION OF A PYRROLOQUINOLINE COMPOUND AND AN AMINOGLYCODISE ANTIMICROBIAL AGENT | HELPERBY THERAPEUTICS LIMITED (GB) | 2012-02-09 | — | — | WO | disclosed |